mbuild_polybuild.aa_functional_groups.mhta.MHTA.visualize

MHTA.visualize(show_ports=False, backend='py3dmol', color_scheme={}, bead_size=0.3)

Visualize the Compound using py3dmol (default) or nglview.

Allows for visualization of a Compound within a Jupyter Notebook.

Parameters:
  • show_ports (bool, optional, default=False) – Visualize Ports in addition to Particles

  • backend (str, optional, default=’py3dmol’) – Specify the backend package to visualize compounds Currently supported: py3dmol, nglview

  • color_scheme (dict, optional) – Specify coloring for non-elemental particles keys are strings of the particle names values are strings of the colors i.e. {‘_CGBEAD’: ‘blue’}

  • bead_size (float, Optional, default=0.3) – Size of beads in visualization